SCHEMBL4151075

SCHEMBL4151075

ON=C1CCc2cc(Br)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.42
HSD17B3 P37058 5/20 0.38
PNMT P11086 5/20 0.38
SRD5A1 P18405 1/20 0.38
SRD5A2 P31213 1/20 0.38
METAP1 P53582 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP2 O95551 1/20 0.35
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CARM1 Q86X55 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4151074 1.00 ASIC3 (0.42) ASIC3HSD17B3PNMTSRD5A1SRD5A2
SCHEMBL8883867 1.00 ASIC3 (0.42) ASIC3HSD17B3PNMTSRD5A1SRD5A2
SCHEMBL5378345 0.78 NPC1 (0.33) SRD5A1PARP10
SCHEMBL5378351 0.78 NPC1 (0.33) SRD5A1PARP10
SCHEMBL13594 0.75
SCHEMBL1201175 0.74 CYP2A6 (0.46) L3MBTL1
SCHEMBL1201177 0.74 CYP2A6 (0.46) L3MBTL1
SCHEMBL1436024 0.74 DRD1 (0.54) METAP1
SCHEMBL1436025 0.74 DRD1 (0.54) METAP1
Ammonia Solution, Strong SCHEMBL8701960 0.73 PNMT (0.56) ASIC3HSD17B3PNMTSRD5A1SRD5A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371412-A CYP11B2 inhibitor compound, pharmaceutical composition and application thereof 长春金赛药业有限责任公司 2025-01-28 CN disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 WO disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 ASIC3 2045/4885HSD17B3 456/4885PNMT 760/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 ASIC3 2045/4885HSD17B3 456/4885PNMT 760/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ASIC3 2611/4885HSD17B3 848/4885PNMT 315/4885
US-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S ASIC3 1778/4885HSD17B3 1036/4885PNMT 22/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ASIC3 4220/4885HSD17B3 1083/4885PNMT 951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.